SCHEMBL8726207

SCHEMBL8726207

CCCC[C@H]1CC[C@H](C2CCC(c3ccccc3OC(F)(F)F)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 5/20 0.39
DRD2 P14416 2/20 0.39
HTR1D P28221 2/20 0.38
HTR1B P28222 2/20 0.38
MEN1 O00255 2/20 0.37
GAA P10253 2/20 0.37
MAPK1 P28482 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DRD1 P21728 1/20 0.35
DRD4 P21917 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8726210 1.00 HCRTR2 (0.39) HCRTR2DRD2HTR1DHTR1BMEN1
SCHEMBL8726254 0.96 HCRTR2 (0.38) HCRTR2DRD2HTR1DHTR1BMEN1
SCHEMBL8726255 0.96 HCRTR2 (0.38) HCRTR2DRD2HTR1DHTR1BMEN1
SCHEMBL5836563 0.92 DRD2 (0.40) HCRTR2DRD2HTR1DHTR1BMEN1
SCHEMBL5836573 0.92 DRD2 (0.40) HCRTR2DRD2HTR1DHTR1BMEN1
SCHEMBL5836076 0.88 HCRTR2 (0.40) HCRTR2DRD2HTR1DHTR1BMEN1
SCHEMBL5836080 0.88 HCRTR2 (0.40) HCRTR2DRD2HTR1DHTR1BMEN1
SCHEMBL9239246 0.78 DRD2 (0.36) HCRTR2DRD2HTR1DHTR1BCYP1A2
SCHEMBL7913981 0.77 DRD2 (0.35) HCRTR2DRD2HTR1DHTR1BMEN1
SCHEMBL5836960 0.77 ALOX5AP (0.35) HCRTR2DRD2HCRTR1HTR2C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5753142-A Nematic liquid-crystal composition for active matrix application MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-05-19 US disclosed